COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.203  -1.235   0.624  1.00  0.00           C  
HETATM    2  C   UNL     1       7.816  -0.741   0.603  1.00  0.00           C  
HETATM    3  C   UNL     1       6.711  -0.346   0.585  1.00  0.00           C  
HETATM    4  C   UNL     1       5.324   0.148   0.564  1.00  0.00           C  
HETATM    5  O   UNL     1       4.678  -0.297  -0.631  1.00  0.00           O  
HETATM    6  C   UNL     1       3.409   0.188  -0.595  1.00  0.00           C  
HETATM    7  C   UNL     1       2.532  -0.084  -1.635  1.00  0.00           C  
HETATM    8  C   UNL     1       1.242   0.409  -1.596  1.00  0.00           C  
HETATM    9  C   UNL     1       0.825   1.174  -0.522  1.00  0.00           C  
HETATM   10  C   UNL     1       1.698   1.446   0.516  1.00  0.00           C  
HETATM   11  C   UNL     1       2.987   0.950   0.485  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.820   1.801  -0.475  1.00  0.00           S  
HETATM   13  O   UNL     1      -1.262   1.828  -1.825  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.782   2.920   0.400  1.00  0.00           O  
HETATM   15  N   UNL     1      -1.761   0.669   0.283  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.933   0.721   1.736  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.407   0.962   2.069  1.00  0.00           C  
HETATM   18  S   UNL     1      -4.405  -0.385   1.370  1.00  0.00           S  
HETATM   19  C   UNL     1      -3.935  -0.239  -0.377  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.420  -0.374  -0.504  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.993  -1.725   0.009  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.532  -1.832   1.125  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.122  -2.815  -0.774  1.00  0.00           N  
HETATM   24  O   UNL     1      -1.720  -4.084  -0.292  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.618  -1.344  -1.184  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.370   1.127  -0.911  1.00  0.00           C  
HETATM   27  H   UNL     1       9.695  -0.896   1.535  1.00  0.00           H  
HETATM   28  H   UNL     1       9.200  -2.324   0.596  1.00  0.00           H  
HETATM   29  H   UNL     1       9.739  -0.850  -0.243  1.00  0.00           H  
HETATM   30  H   UNL     1       4.788  -0.237   1.431  1.00  0.00           H  
HETATM   31  H   UNL     1       5.326   1.238   0.592  1.00  0.00           H  
HETATM   32  H   UNL     1       2.857  -0.681  -2.474  1.00  0.00           H  
HETATM   33  H   UNL     1       0.559   0.198  -2.405  1.00  0.00           H  
HETATM   34  H   UNL     1       1.370   2.044   1.353  1.00  0.00           H  
HETATM   35  H   UNL     1       3.668   1.163   1.295  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.611  -0.224   2.174  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.331   1.533   2.144  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.537   0.987   3.151  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.727   1.912   1.641  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.133  -0.276  -1.551  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.491  -2.730  -1.667  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.895  -4.720  -1.000  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.700  -1.248  -1.090  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.336  -1.256  -2.233  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.306  -2.317  -0.805  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.881   1.914  -0.337  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.088   1.214  -1.960  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.452   1.227  -0.816  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3    3    3                                       
CONECT    3    2    2    2    4                                       
CONECT    4    3    5   30   31                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   32                                       
CONECT    8    7    9    9   33                                       
CONECT    9    8    8   10   12                                       
CONECT   10    9   11   11   34                                       
CONECT   11    6   10   10   35                                       
CONECT   12    9   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   20                                            
CONECT   16   15   17   36   37                                       
CONECT   17   16   18   38   39                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   25   26                                       
CONECT   20   15   19   21   40                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   41                                            
CONECT   24   23   42                                                 
CONECT   25   19   43   44   45                                       
CONECT   26   19   46   47   48                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
